SCHEMBL4255000

SCHEMBL4255000

Cn1[nH]c(=O)c2c1NC1=C(C(=O)CC1)C2c1ccc(F)c(I)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 19/20 0.48
KCNJ11 Q14654 19/20 0.48
ABCC8 Q09428 17/20 0.48
KCNJ8 Q15842 17/20 0.48
BRD4 O60885 1/20 0.45
BRDT Q58F21 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7499328 0.93 ABCC9 (0.43) ABCC9KCNJ11ABCC8KCNJ8BRD4
SCHEMBL6649863 0.88 ABCC9 (0.49) ABCC9KCNJ11ABCC8KCNJ8BRD4
SCHEMBL6643887 0.88 ABCC9 (0.62) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6644712 0.87 ABCC9 (0.57) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6646960 0.86 ABCC9 (0.46) ABCC9KCNJ11ABCC8KCNJ8BRD4
SCHEMBL6644720 0.86 ABCC9 (0.50) ABCC9KCNJ11ABCC8KCNJ8BRD4
SCHEMBL6849040 0.84 ABCC9 (0.39) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6852181 0.82 ABCC9 (0.48) ABCC9KCNJ11ABCC8KCNJ8BRD4
SCHEMBL6643734 0.82 BRD4 (0.47) ABCC9KCNJ11ABCC8KCNJ8BRD4
SCHEMBL7548646 0.82 ABCC9 (0.44) ABCC9KCNJ11ABCC8KCNJ8BRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780872-B2 ASTHMA; ANTIEPILEPTIC AGENTS; SEXUAL DISORDERS ABBOTT LABORATORIES 2004-08-24 US claimed
EP-1259510-B1 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-06-02 EP claimed
US-20030171394-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers DRIZIN IRENE (US) 2003-09-11 US claimed
EP-1259510-A2 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-11-27 EP claimed
US-20020007059-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers ABBOTT LABORATORIES 2002-01-17 US claimed
WO-2001066544-A2 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-09-13 WO claimed
US-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2009-01-08 US disclosed
US-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2009-01-08 US disclosed
US-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2009-01-08 US disclosed
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels DARA BIOSCIENCES, INC. 2007-02-01 US disclosed
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels DARA BIOSCIENCES, INC. 2007-02-01 US disclosed
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels DARA BIOSCIENCES, INC. 2007-02-01 US disclosed
US-6780872-B2 ASTHMA; ANTIEPILEPTIC AGENTS; SEXUAL DISORDERS ABBOTT LABORATORIES 2004-08-24 US disclosed
EP-1259510-B1 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-06-02 EP disclosed
US-20030171394-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers DRIZIN IRENE (US) 2003-09-11 US disclosed
US-6538004-B2 Potassium channel modulators relax smooth muscle cells and inhibit bladder contractions; treating nervous, eating, cardiovascular, gastrointestinal, and sexual disorders ABBOTT LABORATORIES 2003-03-25 US disclosed
EP-1259510-A2 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-11-27 EP disclosed
US-20020007059-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers ABBOTT LABORATORIES 2002-01-17 US disclosed
WO-2001066544-A2 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-09-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels PYGB, PC, KCNN3 ABCC9 384/4885KCNJ11 18/4885ABCC8 415/4885
US-20030171394-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers KCNJ2, KCNH1, KCNJ1 ABCC9 741/4885KCNJ11 4/4885ABCC8 700/4885
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels PC, LIPE, ATP5ME ABCC9 482/4885KCNJ11 24/4885ABCC8 605/4885
US-20020007059-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers KCNJ2, KCNH1, KCNJ1 ABCC9 741/4885KCNJ11 4/4885ABCC8 700/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.